UCSF

ZINC19359707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.39 -35.1 1 4 1 20 380.556 6
Mid Mid (pH 6-8) 3.46 9.58 -39.26 1 4 1 20 380.556 6
Mid Mid (pH 6-8) 3.46 11.85 -106.67 2 4 2 21 381.564 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )